Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL134403 | 0.86 | TSHR (0.41) | TSHRCYP1A2LMNACYP2C9ALDH1A1 | |
| SCHEMBL5551474 | 0.78 | KDM4E (0.36) | TSHRLMNACYP2C9ALDH1A1 | |
| SCHEMBL18789276 | 0.75 | TSHR (0.37) | TSHRLMNACYP2C9ALDH1A1 | |
| SCHEMBL3851227 | 0.73 | TSHR (0.50) | TSHRCYP1A2LMNAALDH1A1TP53 | |
| SCHEMBL2147931 | 0.71 | TSHR (0.42) | TSHRCA1CA9LMNACYP2C9 | |
| SCHEMBL27412304 | 0.71 | TSHR (0.32) | TSHRSIRT2 | |
| SCHEMBL237697 | 0.70 | — | — | |
| Itaconic Anhydride SCHEMBL11663949 | 0.70 | — | — | |
| SCHEMBL441725 | 0.69 | — | — | |
| Fluoride SCHEMBL27655602 | 0.68 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106104895-A | Specific lithium battery comprising a non-aqueous electrolyte based on sulfone compounds | 雷诺两合公司 | 2016-11-09 | — | — | CN | disclosed |